2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine

C16H29N5 — CID 80657151

IUPAC2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN2CCC(N(CC)CC)C2)n1
InChIInChI=1S/C16H29N5/c1-5-17-15-10-13(4)18-16(19-15)12-20-9-8-14(11-20)21(6-2)7-3/h10,14H,5-9,11-12H2,1-4H3,(H,17,18,19)
InChIKeyKRYYBPSKVDTPOY-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.13
Rot. Bonds7

About 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine

2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 80657151) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID80657151
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN2CCC(N(CC)CC)C2)n1
InChIInChI=1S/C16H29N5/c1-5-17-15-10-13(4)18-16(19-15)12-20-9-8-14(11-20)21(6-2)7-3/h10,14H,5-9,11-12H2,1-4H3,(H,17,18,19)
InChIKeyKRYYBPSKVDTPOY-UHFFFAOYSA-N
XLogP2.13
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-3-methylpiperidin-4-ol
CID 114681757
N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 103538592
N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 103502321
2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658081
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673886
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657810
N-ethyl-6-methyl-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidin-4-amine
CID 102745668
N-ethyl-6-methyl-2-[(2-propylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 83061990
2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200
2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 102966751
5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 80657467
1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one
CID 80654202

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 80657151) is 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(CN2CCC(N(CC)CC)C2)n1.
What is the InChIKey of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is KRYYBPSKVDTPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-17-15-10-13(4)18-16(19-15)12-20-9-8-14(11-20)21(6-2)7-3/h10,14H,5-9,11-12H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80657151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).